REMARK  Name = BDB047143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.401   0.893  -0.045  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.136  -0.495  -0.184  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.121  -1.070   0.123  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.039  -0.187   0.699  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -1.816   1.156   0.927  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -3.027   1.619   1.513  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -3.921   0.621   1.625  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.300  -0.501   1.108  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -0.586   1.714   0.536  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.343   3.007   1.942  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -3.754   3.779   0.900  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -4.316   3.076   2.889  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -2.254   3.634   2.470  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1        1.698   1.478  -0.585  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.323   3.571   0.735  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        1.882   3.003  -0.608  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        1.077  -1.333  -0.743  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.170  -1.638   0.142  0.00  0.00    +0.278 C 
ATOM     19  C   LIG    1        2.045  -3.078   0.627  0.00  0.00    +0.064 C 
BRANCH  18  20
ATOM     20  C   LIG    1        3.483  -1.477  -0.622  0.00  0.00    +0.346 C 
ATOM     21  O   LIG    1        3.635  -1.170  -1.793  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.570  -1.672   0.159  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        5.323  -1.528  -0.453  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  24
ATOM     24  C   LIG    1       -1.483  -2.495  -0.204  0.00  0.00    +0.042 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.789  -2.725  -1.688  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -3.057  -2.027  -2.159  0.00  0.00    +0.004 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 9